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BioLiP

PDB CCD ID: 36I
Number of entries in BioLiP: 4
Chemical formula: C16 H15 N3 O S
InChI: InChI=1S/C16H15N3OS/c1-2-4-12(5-3-1)15-17-13-6-11-21-14(13)16(18-15)19-7-9-20-10-8-19/h1-6,11H,7-10H2
InChIKey: RBDRSWPTRGNKIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1c(c3sccc3nc1c2ccccc2)N4CCOCC4
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4
CACTVS 3.370C1CN(CCO1)c2nc(nc3ccsc23)c4ccccc4
Name:4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine
ChEMBL: CHEMBL3989108
ZINC: ZINC000001399281
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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